==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 05-OCT-10 3P3L . COMPND 2 MOLECULE: CYTOCHROME P450; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES THIOLUTEUS; . AUTHOR G.ZOCHER,M.E.A RICHTER,U.MUELLER,C.HERTWECK . 806 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 542 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 1.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 31 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 331 41.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 0 0 2 4 6 2 4 2 0 0 0 0 0 2 0 2 0 0 0 0 0 0 2 0 0 2 RESIDUES PER ALPHA HELIX . 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 8 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 4 A T 0 0 187 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.9 34.7 21.2 19.1 2 5 A A - 0 0 61 1,-0.1 3,-0.1 2,-0.0 0, 0.0 -0.105 360.0-162.0 -57.9 137.3 31.3 19.4 19.2 3 6 A H S S+ 0 0 190 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.745 82.4 24.2 -84.3 -31.5 28.2 21.0 17.5 4 7 A T S S- 0 0 107 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.910 106.8 -75.8-129.4 160.7 25.8 18.8 19.5 5 8 A E > - 0 0 48 -2,-0.3 3,-1.9 1,-0.2 4,-0.2 -0.387 41.8-142.8 -56.3 117.6 26.1 16.9 22.8 6 9 A P G > S+ 0 0 91 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.840 98.1 54.5 -57.0 -36.4 28.3 13.9 22.0 7 10 A S G 3 S+ 0 0 35 1,-0.2 3,-0.2 2,-0.1 -2,-0.1 0.512 102.7 59.6 -75.3 -5.2 26.3 11.5 24.3 8 11 A W G X S+ 0 0 52 -3,-1.9 3,-0.9 1,-0.1 -1,-0.2 0.339 73.0 102.9-101.0 3.8 23.1 12.4 22.5 9 12 A A T < S+ 0 0 73 -3,-1.2 -1,-0.1 1,-0.2 -2,-0.1 0.747 87.5 34.9 -64.7 -27.8 24.2 11.3 19.1 10 13 A D T 3 S+ 0 0 130 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.395 83.1 128.7-109.3 0.7 22.3 8.0 19.1 11 14 A L < - 0 0 26 -3,-0.9 27,-0.1 1,-0.1 2,-0.1 -0.385 60.7-120.3 -64.0 127.8 19.1 9.0 21.0 12 15 A P - 0 0 13 0, 0.0 27,-2.9 0, 0.0 2,-0.4 -0.383 27.2-124.2 -66.0 146.9 15.9 8.1 19.1 13 16 A F B +a 39 0A 118 25,-0.2 2,-0.3 -2,-0.1 27,-0.2 -0.789 30.3 173.9 -98.9 137.8 13.6 11.0 18.2 14 17 A L - 0 0 5 25,-2.5 2,-0.5 -2,-0.4 3,-0.1 -0.998 17.0-161.5-139.1 137.7 9.9 11.3 19.3 15 18 A D + 0 0 42 -2,-0.3 3,-0.4 25,-0.1 6,-0.1 -0.835 11.4 175.1-120.9 93.5 7.5 14.2 18.8 16 19 A F S S+ 0 0 28 -2,-0.5 2,-0.2 1,-0.3 -1,-0.1 0.559 76.2 69.3 -76.1 -8.1 4.6 13.9 21.2 17 20 A T S S+ 0 0 82 -3,-0.1 -1,-0.3 3,-0.0 3,-0.0 -0.367 78.6 108.7-100.0 49.2 3.2 17.3 20.0 18 21 A D S > S- 0 0 65 -3,-0.4 3,-2.6 -2,-0.2 -3,-0.0 -0.998 74.0-130.3-130.9 127.1 2.4 15.8 16.6 19 22 A P T 3 S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.763 108.3 47.9 -46.8 -36.0 -1.2 15.2 15.5 20 23 A N T 3 S+ 0 0 148 2,-0.0 2,-0.1 -3,-0.0 -4,-0.1 0.455 87.3 121.9 -87.0 -2.2 -0.4 11.6 14.3 21 24 A F < + 0 0 37 -3,-2.6 2,-0.3 -6,-0.1 -5,-0.1 -0.335 34.1 177.0 -72.2 139.4 1.4 10.6 17.5 22 25 A S > - 0 0 55 -2,-0.1 3,-1.5 1,-0.1 6,-0.2 -0.995 33.1-138.6-139.9 137.5 0.4 7.7 19.7 23 26 A W T 3 S+ 0 0 54 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.726 107.2 50.6 -63.4 -20.9 2.0 6.4 22.9 24 27 A D T 3 S+ 0 0 84 4,-0.1 -1,-0.3 5,-0.0 -3,-0.0 0.266 82.3 123.7-104.2 9.9 1.3 2.9 21.6 25 28 A S S X> S- 0 0 26 -3,-1.5 4,-1.6 1,-0.1 3,-0.6 -0.283 72.7-116.1 -68.4 154.4 2.8 3.2 18.1 26 29 A P H 3> S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.828 114.8 60.8 -60.2 -31.7 5.5 0.9 16.8 27 30 A E H 3> S+ 0 0 101 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.829 103.7 49.6 -65.8 -31.5 8.0 3.8 16.6 28 31 A V H <> S+ 0 0 2 -3,-0.6 4,-2.3 -6,-0.2 -1,-0.2 0.911 110.3 50.3 -70.5 -43.2 7.6 4.5 20.3 29 32 A A H X S+ 0 0 37 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.891 110.0 50.8 -58.2 -43.4 8.3 0.8 21.0 30 33 A E H X S+ 0 0 127 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.871 108.9 51.9 -62.3 -39.5 11.4 1.0 18.8 31 34 A A H X S+ 0 0 3 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.924 109.3 48.2 -63.1 -47.0 12.6 4.0 20.7 32 35 A R H < S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.843 112.7 49.7 -64.3 -34.5 12.3 2.3 24.1 33 36 A E H < S+ 0 0 148 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.9 43.8 -69.7 -40.6 14.1 -0.7 22.7 34 37 A K H < S+ 0 0 137 -4,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.887 128.1 5.3 -69.5 -41.1 16.9 1.4 21.3 35 38 A S < - 0 0 14 -4,-2.7 -1,-0.2 -5,-0.2 12,-0.1 -0.984 52.8-133.3-149.6 150.8 17.3 3.7 24.4 36 39 A W S S+ 0 0 12 -2,-0.3 11,-2.2 1,-0.1 12,-1.2 0.622 101.7 41.5 -73.9 -16.0 16.1 4.3 27.9 37 40 A I E S- B 0 46A 0 9,-0.2 2,-0.3 10,-0.2 9,-0.2 -0.999 71.1-157.5-140.0 136.0 15.7 7.9 26.9 38 41 A A E - B 0 45A 0 7,-3.7 7,-3.5 -2,-0.4 2,-0.4 -0.793 17.5-124.1-111.1 154.6 14.4 9.7 23.8 39 42 A R E +aB 13 44A 98 -27,-2.9 -25,-2.5 -2,-0.3 5,-0.2 -0.844 25.2 179.7 -97.1 130.9 14.9 13.2 22.4 40 43 A T - 0 0 1 3,-2.2 -25,-0.1 -2,-0.4 3,-0.0 -0.828 45.7-100.6-115.2 164.2 12.0 15.5 21.7 41 44 A P S S+ 0 0 68 0, 0.0 -26,-0.1 0, 0.0 3,-0.1 0.881 119.4 19.9 -51.6 -40.4 12.5 19.1 20.3 42 45 A L S S+ 0 0 75 1,-0.1 2,-0.3 268,-0.0 -3,-0.0 0.542 128.0 22.0-109.4 -10.9 12.1 20.7 23.7 43 46 A A - 0 0 3 267,-0.1 -3,-2.2 269,-0.0 2,-0.3 -0.992 69.2-109.6-155.0 155.4 12.8 17.9 26.3 44 47 A L E -Bc 39 312A 1 267,-2.8 269,-3.1 -2,-0.3 2,-0.5 -0.716 35.2-147.6 -84.1 144.5 14.4 14.5 27.0 45 48 A L E -Bc 38 313A 2 -7,-3.5 -7,-3.7 -2,-0.3 2,-0.6 -0.958 2.6-145.3-124.5 117.2 11.9 11.7 27.4 46 49 A V E +Bc 37 314A 0 267,-3.0 269,-2.1 -2,-0.5 -9,-0.2 -0.706 23.4 170.6 -87.1 119.2 12.4 8.7 29.8 47 50 A L + 0 0 0 -11,-2.2 2,-0.3 -2,-0.6 -10,-0.2 0.660 46.9 80.0-106.1 -22.1 10.9 5.6 28.3 48 51 A R S > S- 0 0 47 -12,-1.2 4,-2.2 1,-0.1 5,-0.2 -0.738 73.7-129.5 -97.9 143.4 12.1 2.6 30.4 49 52 A Y H > S+ 0 0 21 270,-0.4 4,-2.7 -2,-0.3 5,-0.3 0.869 101.8 53.3 -55.5 -49.0 10.5 1.7 33.7 50 53 A A H > S+ 0 0 37 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 115.3 38.7 -57.6 -49.6 13.7 1.5 35.8 51 54 A E H > S+ 0 0 29 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.842 114.1 54.9 -72.5 -33.9 15.0 4.9 34.9 52 55 A A H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.919 113.2 42.4 -64.8 -44.4 11.5 6.5 35.0 53 56 A D H < S+ 0 0 41 -4,-2.7 4,-0.3 -5,-0.2 -2,-0.2 0.914 119.7 44.0 -65.2 -43.9 11.0 5.3 38.6 54 57 A Q H >X S+ 0 0 109 -4,-2.2 3,-1.0 -5,-0.3 4,-0.5 0.884 112.7 48.1 -72.3 -41.9 14.5 6.2 39.7 55 58 A L H 3< S+ 0 0 6 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.705 98.2 67.7 -78.7 -20.3 14.9 9.6 38.1 56 59 A A T 3< S+ 0 0 4 -4,-1.1 294,-0.3 -5,-0.3 -1,-0.3 0.660 110.7 38.7 -66.7 -16.2 11.5 10.9 39.4 57 60 A R T <4 S+ 0 0 125 -3,-1.0 2,-0.3 -4,-0.3 -2,-0.2 0.518 86.7 119.1-105.9 -14.4 13.2 10.6 42.8 58 61 A D >< - 0 0 30 -4,-0.5 3,-1.9 1,-0.2 -3,-0.0 -0.407 57.1-149.8 -63.3 119.7 16.6 11.9 41.8 59 62 A K T 3 S+ 0 0 183 1,-0.3 -1,-0.2 -2,-0.3 -4,-0.0 0.654 92.7 71.6 -68.8 -16.0 17.4 15.0 43.7 60 63 A R T 3 S+ 0 0 83 1,-0.1 236,-2.8 235,-0.1 237,-0.7 0.530 92.6 67.3 -74.4 -7.3 19.5 16.3 40.8 61 64 A L E < +D 295 0A 8 -3,-1.9 234,-0.2 234,-0.2 -1,-0.1 -0.953 67.9 176.7-118.0 112.9 16.1 16.8 39.0 62 65 A I E -D 294 0A 64 232,-2.2 232,-2.5 -2,-0.5 2,-0.1 -0.366 45.7 -52.2-102.0-176.3 13.8 19.5 40.3 63 66 A S E -D 293 0A 11 230,-0.2 3,-0.3 1,-0.1 230,-0.3 -0.365 39.0-165.2 -64.3 130.6 10.4 20.7 39.0 64 67 A G > + 0 0 4 228,-2.8 4,-2.4 1,-0.2 5,-0.2 0.410 63.3 100.4 -93.6 0.0 10.3 21.8 35.4 65 68 A F H > S+ 0 0 36 23,-0.4 4,-2.0 227,-0.4 -1,-0.2 0.877 83.1 47.4 -56.9 -44.1 7.0 23.7 35.5 66 69 A R H > S+ 0 0 114 -3,-0.3 4,-1.8 23,-0.2 -1,-0.2 0.849 110.6 54.0 -66.0 -35.2 8.6 27.2 35.8 67 70 A G H > S+ 0 0 40 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.920 109.1 48.1 -60.3 -46.5 10.9 26.2 32.9 68 71 A L H X S+ 0 0 17 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.865 107.1 56.0 -62.1 -40.1 7.8 25.3 30.8 69 72 A V H X>S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.2 4,-1.0 0.913 112.4 42.1 -60.3 -44.4 6.0 28.6 31.7 70 73 A D H <5S+ 0 0 105 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.814 111.3 57.3 -69.5 -32.5 9.0 30.5 30.4 71 74 A M H <5S+ 0 0 86 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.897 114.1 36.7 -65.1 -42.6 9.3 28.2 27.4 72 75 A V H <5S- 0 0 36 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.611 108.0-132.6 -84.8 -14.8 5.7 28.9 26.3 73 76 A G T <5 - 0 0 39 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.856 24.5-165.4 66.5 42.2 6.1 32.6 27.4 74 77 A T < - 0 0 4 -5,-1.6 104,-0.2 1,-0.1 -1,-0.2 -0.368 23.6-119.8 -55.2 126.6 2.9 33.0 29.4 75 78 A P - 0 0 70 0, 0.0 5,-0.4 0, 0.0 -1,-0.1 -0.263 38.1 -77.1 -69.1 161.0 2.4 36.8 29.9 76 79 A E S S+ 0 0 169 4,-0.1 3,-0.1 3,-0.1 0, 0.0 -0.327 85.7 88.9 -55.0 132.0 2.3 38.5 33.3 77 80 A G S > S- 0 0 24 -3,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.959 89.0 -54.4 161.3-176.0 -1.1 37.9 35.0 78 81 A P H > S+ 0 0 67 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.837 126.6 51.6 -59.4 -38.4 -3.3 35.8 37.2 79 82 A V H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.933 112.2 44.9 -66.8 -47.2 -2.8 32.6 35.1 80 83 A R H > S+ 0 0 47 -5,-0.4 4,-2.3 1,-0.2 5,-0.3 0.919 109.8 57.3 -60.9 -45.0 1.1 32.9 35.2 81 84 A D H X S+ 0 0 68 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.902 110.1 43.4 -49.9 -50.2 1.0 33.7 38.9 82 85 A F H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.915 113.2 51.5 -64.1 -44.3 -0.9 30.4 39.6 83 86 A M H < S+ 0 0 10 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.778 116.2 39.4 -68.4 -29.9 1.3 28.3 37.3 84 87 A V H < S+ 0 0 24 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.705 122.8 39.7 -90.2 -20.9 4.6 29.6 38.8 85 88 A D H < S+ 0 0 55 -4,-1.5 -2,-0.2 -5,-0.3 -3,-0.2 0.637 87.6 105.5-104.2 -18.9 3.5 29.6 42.5 86 89 A F S >X S- 0 0 18 -4,-2.1 3,-2.5 -5,-0.2 4,-0.5 -0.205 86.5 -95.8 -70.1 159.5 1.4 26.5 42.9 87 90 A L G >4 S+ 0 0 17 1,-0.3 3,-1.3 2,-0.2 12,-0.1 0.763 119.4 58.8 -44.8 -42.3 2.7 23.4 44.7 88 91 A Q G 34 S+ 0 0 83 1,-0.3 -23,-0.4 -23,-0.0 -1,-0.3 0.637 104.5 51.9 -68.5 -14.9 4.0 21.5 41.6 89 92 A S G <4 S+ 0 0 6 -3,-2.5 -1,-0.3 -24,-0.1 -23,-0.2 0.527 97.7 85.4 -94.2 -10.5 6.3 24.4 40.6 90 93 A L << + 0 0 14 -3,-1.3 2,-0.3 -4,-0.5 -27,-0.1 -0.585 48.9 175.5 -99.5 155.2 8.0 24.6 44.0 91 94 A D >> + 0 0 49 -2,-0.2 4,-0.8 -29,-0.1 3,-0.6 -0.879 46.1 17.3-142.3 175.6 11.0 22.8 45.6 92 95 A G H 3> S- 0 0 32 -2,-0.3 4,-2.4 1,-0.2 3,-0.4 -0.191 120.3 -8.6 61.1-147.8 13.1 22.9 48.8 93 96 A A H 3> S+ 0 0 65 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 135.1 52.1 -53.0 -45.2 11.8 24.6 51.9 94 97 A D H <> S+ 0 0 82 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.898 112.6 45.6 -60.4 -43.0 8.8 26.3 50.3 95 98 A H H X S+ 0 0 7 -4,-0.8 4,-3.1 -3,-0.4 5,-0.4 0.937 113.8 46.6 -67.1 -48.6 7.5 23.0 48.9 96 99 A R H X S+ 0 0 157 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.851 113.2 50.9 -66.0 -33.2 8.0 20.9 52.0 97 100 A R H X S+ 0 0 67 -4,-2.2 4,-0.9 -5,-0.3 -1,-0.2 0.938 118.0 36.5 -65.3 -50.1 6.3 23.7 54.1 98 101 A L H < S+ 0 0 9 -4,-2.0 3,-0.5 2,-0.2 4,-0.4 0.909 118.4 48.3 -74.9 -43.7 3.2 23.9 51.9 99 102 A R H >X S+ 0 0 49 -4,-3.1 3,-1.5 1,-0.2 4,-0.8 0.893 106.4 61.6 -59.1 -39.2 2.9 20.2 51.0 100 103 A G H 3X S+ 0 0 45 -4,-1.5 4,-0.5 -5,-0.4 3,-0.4 0.810 98.7 54.3 -57.2 -35.7 3.3 19.5 54.7 101 104 A L H 3< S+ 0 0 42 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.573 114.5 41.3 -76.2 -11.8 0.1 21.4 55.6 102 105 A A H <4 S+ 0 0 0 -3,-1.5 4,-0.2 -4,-0.4 -1,-0.2 0.446 95.3 82.2-112.1 -3.5 -1.9 19.3 53.1 103 106 A T H >< S+ 0 0 45 -4,-0.8 3,-2.2 -3,-0.4 4,-0.5 0.900 70.4 75.6 -72.5 -43.9 -0.4 15.9 53.8 104 107 A H G >< S+ 0 0 114 -4,-0.5 3,-1.7 1,-0.3 6,-0.3 0.804 94.1 45.6 -45.0 -58.3 -2.4 14.7 56.9 105 108 A P G 3 S+ 0 0 23 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.628 114.4 52.9 -66.8 -7.9 -5.8 13.7 55.4 106 109 A F G < S+ 0 0 12 -3,-2.2 250,-0.4 -4,-0.2 251,-0.2 0.410 78.5 115.1-106.6 -1.6 -4.0 11.9 52.6 107 110 A T S X> S- 0 0 44 -3,-1.7 4,-2.2 -4,-0.5 3,-0.8 -0.415 80.6-111.6 -65.1 146.0 -1.7 9.6 54.7 108 111 A P H 3> S+ 0 0 99 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.848 119.2 54.1 -45.4 -43.0 -2.4 5.9 54.4 109 112 A R H 3> S+ 0 0 193 1,-0.2 4,-0.7 2,-0.2 -3,-0.0 0.869 112.0 42.8 -60.1 -41.4 -3.5 5.8 58.0 110 113 A R H <> S+ 0 0 96 -3,-0.8 4,-0.8 -6,-0.3 -1,-0.2 0.745 106.5 61.2 -82.0 -23.2 -6.0 8.7 57.4 111 114 A I H >X S+ 0 0 10 -4,-2.2 4,-0.9 1,-0.2 3,-0.6 0.874 98.1 59.2 -66.4 -38.7 -7.2 7.2 54.1 112 115 A T H >< S+ 0 0 90 -4,-1.6 3,-0.7 1,-0.2 -1,-0.2 0.893 102.5 54.7 -52.1 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111.1 43.5 -65.8 -45.3 -16.2 15.7 43.5 147 150 A L H X S+ 0 0 25 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.873 113.1 52.5 -66.8 -40.0 -18.1 14.4 46.6 148 151 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.916 111.2 46.0 -62.8 -45.4 -14.9 13.0 48.1 149 152 A M H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 6,-0.3 0.896 111.2 53.2 -64.7 -40.1 -13.0 16.3 47.7 150 153 A C H X>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 4,-0.8 0.891 110.8 47.7 -58.3 -41.5 -16.1 18.2 49.1 151 154 A Q H <5S+ 0 0 87 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.900 116.0 42.9 -66.0 -43.5 -15.9 15.9 52.1 152 155 A L H <5S+ 0 0 19 -4,-2.3 60,-2.8 1,-0.2 61,-0.3 0.854 119.0 42.5 -73.0 -36.0 -12.2 16.4 52.6 153 156 A L H <5S- 0 0 1 -4,-2.8 -1,-0.2 58,-0.2 -2,-0.2 0.458 112.7-113.2 -93.3 -3.6 -12.2 20.1 52.0 154 157 A G T <5 + 0 0 17 -4,-0.8 -3,-0.2 1,-0.3 -4,-0.1 0.666 64.4 146.5 81.4 18.4 -15.3 20.8 54.1 155 158 A F < - 0 0 9 -5,-1.7 -1,-0.3 -6,-0.3 -2,-0.1 -0.612 60.7 -92.0 -81.9 146.5 -17.6 21.9 51.2 156 159 A P > - 0 0 66 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 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0.926 112.6 46.6 -64.4 -48.1 -8.3 30.0 31.9 187 190 A E H X S+ 0 0 100 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.911 111.8 51.2 -60.7 -45.8 -8.3 33.3 33.9 188 191 A Q H X S+ 0 0 111 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.870 113.2 46.2 -58.3 -41.0 -12.2 33.5 34.0 189 192 A G H X S+ 0 0 1 -4,-1.8 4,-1.9 -20,-0.2 -19,-0.2 0.878 112.4 48.7 -70.1 -42.0 -12.3 29.9 35.3 190 193 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 -20,-0.3 -2,-0.2 0.893 110.7 52.4 -63.9 -41.7 -9.6 30.5 37.9 191 194 A G H X S+ 0 0 32 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.920 110.8 46.1 -58.9 -48.2 -11.4 33.6 39.1 192 195 A R H X S+ 0 0 106 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.838 113.4 50.1 -65.1 -35.8 -14.7 31.8 39.5 193 196 A M H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.913 110.7 48.7 -67.9 -43.8 -13.0 28.9 41.3 194 197 A F H X S+ 0 0 23 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.809 104.3 61.7 -66.0 -29.9 -11.2 31.4 43.7 195 198 A D H X S+ 0 0 117 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.917 110.5 39.0 -57.9 -47.4 -14.6 33.1 44.3 196 199 A Y H X S+ 0 0 44 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.905 118.6 48.5 -68.3 -45.5 -16.0 29.8 45.7 197 200 A L H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.922 110.2 48.9 -65.1 -47.6 -12.7 28.9 47.5 198 201 A V H X S+ 0 0 57 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.907 111.1 51.9 -59.1 -42.9 -12.2 32.4 49.2 199 202 A A H X S+ 0 0 62 -4,-1.4 4,-1.3 -5,-0.3 -1,-0.2 0.899 112.9 44.8 -59.4 -43.0 -15.8 32.3 50.4 200 203 A A H X S+ 0 0 19 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.901 115.0 48.7 -65.6 -42.6 -15.2 28.9 51.9 201 204 A I H X S+ 0 0 3 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.916 109.5 50.5 -64.4 -46.7 -11.9 30.0 53.4 202 205 A E H X S+ 0 0 85 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.817 110.0 52.1 -62.4 -31.9 -13.3 33.2 54.9 203 206 A K H >X S+ 0 0 155 -4,-1.3 4,-2.5 -5,-0.2 3,-0.7 0.896 109.8 47.4 -69.9 -42.2 -16.0 31.1 56.5 204 207 A R H 3< S+ 0 0 59 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.715 100.7 68.5 -72.2 -21.8 -13.5 28.7 58.1 205 208 A K H 3< S+ 0 0 38 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.817 115.5 25.2 -62.9 -33.1 -11.5 31.7 59.3 206 209 A V H << S+ 0 0 128 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4,-1.2 -5,-0.2 -1,-0.2 0.941 115.1 41.0 -58.2 -54.2 -9.0 20.4 44.7 239 242 A V H X S+ 0 0 16 -4,-2.4 4,-1.4 1,-0.2 5,-0.5 0.909 115.8 49.8 -64.6 -44.0 -8.0 20.4 41.0 240 243 A A H < S+ 0 0 45 -4,-2.5 4,-0.3 -5,-0.3 -1,-0.2 0.768 114.4 46.6 -66.6 -27.1 -5.3 17.7 41.3 241 244 A G H < S+ 0 0 16 -4,-1.5 4,-0.2 -5,-0.3 -1,-0.2 0.664 115.0 43.7 -88.4 -20.1 -7.8 15.5 43.2 242 245 A Y H X S+ 0 0 1 -4,-1.2 4,-2.5 -3,-0.4 -2,-0.2 0.946 111.7 38.8 -92.1 -61.6 -10.8 15.9 40.9 243 246 A E H X S+ 0 0 8 -4,-1.4 4,-2.5 1,-0.2 5,-0.2 0.862 116.2 49.6 -66.7 -40.4 -9.8 15.7 37.1 244 247 A T H > S+ 0 0 32 -5,-0.5 4,-2.2 -4,-0.3 -1,-0.2 0.935 115.7 42.9 -60.8 -50.5 -7.2 12.9 37.4 245 248 A T H > S+ 0 0 10 -4,-0.2 4,-2.0 -5,-0.2 -2,-0.2 0.878 113.9 53.3 -64.2 -41.8 -9.5 10.6 39.5 246 249 A N H X S+ 0 0 4 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.959 113.6 40.4 -56.0 -56.6 -12.5 11.5 37.2 247 250 A H H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.843 112.9 55.3 -67.1 -34.9 -10.7 10.5 34.0 248 251 A Q H X S+ 0 0 8 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S+ 0 0 1 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.909 110.5 49.1 -62.5 -46.6 -25.8 18.7 11.1 602 201 B V H X S+ 0 0 46 -4,-3.0 4,-3.2 2,-0.2 5,-0.2 0.876 109.5 53.9 -62.6 -38.4 -27.5 15.3 11.3 603 202 B A H X S+ 0 0 64 -4,-1.4 4,-1.4 -5,-0.3 -1,-0.2 0.917 113.1 43.0 -58.9 -44.5 -27.1 15.4 15.1 604 203 B A H X S+ 0 0 19 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.910 115.2 50.1 -66.0 -44.0 -28.8 18.8 15.1 605 204 B I H X S+ 0 0 2 -4,-3.1 4,-1.4 1,-0.2 -2,-0.2 0.916 109.1 50.0 -60.5 -47.8 -31.5 17.6 12.6 606 205 B E H X S+ 0 0 88 -4,-3.2 4,-0.5 1,-0.2 -1,-0.2 0.821 109.9 51.7 -65.4 -31.9 -32.3 14.4 14.5 607 206 B K H >X S+ 0 0 129 -4,-1.4 4,-2.6 -5,-0.2 3,-1.0 0.915 109.4 49.7 -65.5 -45.0 -32.7 16.4 17.7 608 207 B R H 3< S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.735 99.5 67.1 -67.0 -24.3 -35.1 18.9 15.9 609 208 B K H 3< S+ 0 0 36 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.757 116.7 25.0 -66.8 -26.7 -37.1 15.9 14.6 610 209 B V H << S+ 0 0 117 -3,-1.0 -2,-0.2 -4,-0.5 -1,-0.2 0.665 137.5 27.4-110.5 -27.7 -38.2 15.1 18.2 611 210 B E S < S- 0 0 139 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 -0.628 80.8-176.2-135.5 80.2 -37.9 18.5 19.8 612 211 B P - 0 0 69 0, 0.0 2,-0.2 0, 0.0 -3,-0.1 -0.201 3.6-175.1 -73.6 163.5 -38.4 21.3 17.3 613 212 B G - 0 0 21 2,-0.1 -55,-0.0 -5,-0.0 0, 0.0 -0.486 45.4 -79.1-132.7-153.6 -38.1 25.1 17.8 614 213 B D S S+ 0 0 161 -2,-0.2 -56,-0.1 4,-0.1 5,-0.0 0.358 90.2 107.4 -98.6 1.6 -38.6 28.3 15.8 615 214 B D S > S- 0 0 19 -58,-0.1 4,-2.0 -57,-0.1 -58,-0.2 -0.091 83.2-102.8 -78.6 176.6 -35.3 28.1 13.9 616 215 B L H > S+ 0 0 1 -60,-3.1 4,-2.7 2,-0.2 5,-0.2 0.869 119.9 53.6 -70.8 -41.6 -34.6 27.3 10.2 617 216 B T H > S+ 0 0 1 -61,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 111.7 48.6 -57.6 -42.7 -33.4 23.7 10.9 618 217 B S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.908 109.8 51.6 -61.7 -44.8 -36.7 23.2 12.7 619 218 B D H X S+ 0 0 38 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.919 111.6 45.8 -56.7 -48.8 -38.6 24.8 9.8 620 219 B I H X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.868 110.1 54.7 -67.5 -36.6 -37.0 22.5 7.2 621 220 B V H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.876 104.6 54.8 -61.1 -39.9 -37.6 19.4 9.5 622 221 B R H X S+ 0 0 110 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.869 107.2 49.5 -61.2 -38.8 -41.3 20.4 9.6 623 222 B A H <>S+ 0 0 12 -4,-1.5 5,-3.0 2,-0.2 6,-0.4 0.851 109.3 52.9 -67.1 -35.2 -41.4 20.3 5.7 624 223 B F H ><5S+ 0 0 53 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.872 107.7 50.0 -65.3 -39.8 -39.7 16.9 6.0 625 224 B H H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.714 109.8 52.9 -68.0 -21.9 -42.5 15.7 8.3 626 225 B D T 3<5S- 0 0 129 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.366 117.5-116.4 -94.4 2.2 -44.9 17.1 5.7 627 226 B G T < 5S+ 0 0 65 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.760 77.9 126.8 69.5 28.3 -43.2 15.0 2.9 628 227 B V S - 0 0 86 -2,-0.3 4,-2.0 -3,-0.1 5,-0.1 -0.224 36.4 -96.7 -87.0 179.6 -36.5 13.7 1.8 631 230 B D H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.858 122.6 50.2 -66.3 -38.6 -33.8 13.2 4.4 632 231 B Y H > S+ 0 0 69 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 112.3 46.9 -65.7 -47.0 -30.9 13.6 2.0 633 232 B E H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.857 109.0 57.8 -60.5 -37.9 -32.3 16.8 0.6 634 233 B L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.959 112.2 37.3 -58.1 -56.3 -32.9 18.0 4.2 635 234 B R H X S+ 0 0 71 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.890 116.5 52.9 -67.5 -39.8 -29.2 17.7 5.3 636 235 B T H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.896 110.8 48.4 -59.3 -41.7 -27.9 18.9 1.9 637 236 B L H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.909 111.6 47.7 -67.6 -43.0 -30.1 22.0 2.2 638 237 B V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.908 113.2 49.5 -64.2 -41.9 -29.0 22.8 5.7 639 238 B A H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.924 110.9 50.1 -60.9 -46.9 -25.4 22.3 4.7 640 239 B T H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.929 111.3 47.0 -56.6 -52.3 -25.8 24.6 1.7 641 240 B V H X S+ 0 0 12 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.897 113.8 49.1 -61.2 -44.1 -27.4 27.4 3.6 642 241 B L H X S+ 0 0 3 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.951 115.0 41.5 -58.6 -55.0 -24.8 27.3 6.4 643 242 B V H X S+ 0 0 17 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.916 116.0 49.3 -63.9 -44.7 -21.7 27.3 4.1 644 243 B A H < S+ 0 0 45 -4,-2.6 4,-0.4 -5,-0.2 5,-0.3 0.807 113.7 48.0 -62.9 -32.9 -23.2 29.9 1.7 645 244 B G H < S+ 0 0 16 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.681 118.6 37.7 -81.7 -20.6 -24.0 32.1 4.7 646 245 B Y H X S+ 0 0 1 -4,-1.2 4,-2.8 -3,-0.5 5,-0.2 0.917 111.7 45.4 -98.7 -58.5 -20.6 31.8 6.4 647 246 B E H X S+ 0 0 13 -4,-1.9 4,-2.3 1,-0.2 5,-0.2 0.884 116.1 45.0 -60.0 -45.9 -17.7 31.8 3.9 648 247 B T H > S+ 0 0 34 -5,-0.5 4,-2.4 -4,-0.4 -1,-0.2 0.946 116.5 44.1 -62.3 -53.2 -18.9 34.7 1.8 649 248 B T H > S+ 0 0 10 -5,-0.3 4,-2.1 -4,-0.2 -2,-0.2 0.895 113.3 53.3 -62.3 -43.5 -19.9 37.0 4.7 650 249 B N H X S+ 0 0 2 -4,-2.8 4,-1.8 2,-0.2 3,-0.4 0.972 113.4 40.7 -51.3 -62.0 -16.6 36.1 6.5 651 250 B H H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.829 113.2 54.8 -62.4 -34.2 -14.4 37.0 3.6 652 251 B Q H X S+ 0 0 6 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.863 106.7 51.1 -66.9 -37.1 -16.4 40.1 2.7 653 252 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